Llwytho...

Dewetting-Controlled Binding of Ligands to Hydrophobic Pockets

We report on a combined atomistic molecular dynamics simulation and implicit solvent analysis of a generic hydrophobic pocket-ligand (host-guest) system. The approaching ligand induces complex wetting-dewetting transitions in the weakly solvated pocket. The transitions lead to bimodal solvent fluctu...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Setny, P., Wang, Z., Cheng, L.-T., Li, B., McCammon, J. A., Dzubiella, J.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2009
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC2832595/
https://ncbi.nlm.nih.gov/pubmed/19905832
Tagiau: Ychwanegu Tag
Dim Tagiau, Byddwch y cyntaf i dagio'r cofnod hwn!